sigh. This one has actually been tested...



########################################################################

To unsubscribe from the COOT list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1

(let ((seq "DVSGTVCLSALPPEATDTLNLIASDGPFPYSQD")) ;; or whatever
   (let ((imol (read-pdb "poly-ala-frag.pdb")) ;; or whatever
         (ch-id "A")) ;; presumably

      (let* ((residues (residues-in-chain imol ch-id))
             (n-residues (length residues))
             (n-trials (- (string-length seq) n-residues)))

        (for-each (lambda (i-trial)
                    (let ((file-name (string-append "trial-" (number->string 
i-trial) ".pdb"))
                          (mol-name (string-append "trial-" (number->string 
i-trial)))
                          (imol-copy (copy-molecule imol))
                          (frag-seq (substring seq i-trial (+ i-trial 
n-residues))))
                      (mutate-chain imol-copy ch-id frag-seq)
                      (set-molecule-name imol-copy mol-name)
                      (write-pdb-file imol-copy file-name)))
                  (range n-trials)))))



########################################################################

To unsubscribe from the COOT list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1

Reply via email to